============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 13.759 69.886 10.072 -99.200 -91.000 PHE 29 1.000 19.236 66.703 10.560 -99.200 -91.000 TYR 32 0.840 16.095 74.846 10.115 -99.200 -91.000 TRP 33 1.040 23.227 76.270 14.773 -99.200 -91.000 TRP6 33 1.020 24.919 76.348 16.427 -99.200 -91.000 TRP 36 1.040 20.142 64.892 21.261 -99.200 -91.000 TRP6 36 1.020 18.497 63.242 21.038 -99.200 -91.000 TRP 47 1.040 20.400 73.296 25.742 -99.200 -91.000 TRP6 47 1.020 22.717 73.722 25.807 -99.200 -91.000 TYR 60 0.840 28.516 67.913 24.417 -99.200 -91.000 PHE 68 1.000 24.558 64.200 29.172 -99.200 -91.000 TYR 80 0.840 22.840 59.149 14.649 -99.200 -91.000 TYR 94 0.840 17.490 61.447 28.044 -99.200 -91.000 TYR 95 0.840 10.625 65.867 25.724 -99.200 -91.000 PHE 101 1.000 22.330 80.106 15.893 -99.200 -91.000 TYR 104 0.840 21.777 89.206 8.801 -99.200 -91.000 HIS 106 0.900 20.786 91.139 18.101 -99.200 -91.000 TYR 107 0.840 13.228 83.998 16.537 -99.200 -91.000 TYR 111 0.840 8.188 72.890 13.667 -99.200 -91.000 TRP 112 1.040 10.370 71.673 21.681 -99.200 -91.000 TRP6 112 1.020 11.421 71.336 23.762 -99.200 -91.000 PHE 131 1.000 -6.325 42.699 36.727 -99.200 -91.000 TYR 154 0.840 2.824 50.437 33.869 -99.200 -91.000 PHE 155 1.000 10.966 49.224 36.454 -99.200 -91.000 TRP 163 1.040 -10.403 54.030 26.598 -99.200 -91.000 TRP6 163 1.020 -11.519 52.277 27.710 -99.200 -91.000 HIS 173 0.900 -10.877 63.059 31.818 -99.200 -91.000 PHE 175 1.000 -7.727 59.624 36.292 -99.200 -91.000 TYR 185 0.840 6.443 53.482 37.454 -99.200 -91.000 TYR 203 0.840 -18.701 51.744 25.745 -99.200 -91.000 HIS 209 0.900 5.512 47.609 29.707 -99.200 -91.000